Cross section data for ionization of important cyanides

Kaur, Jaspreet; Antony, Bobby

doi:10.1016/j.elspec.2015.08.013

Cited by 3 publications

(6 citation statements)

References 34 publications

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“…The salient characteristics of these two formalisms are described in brief in the following subsections. The detailed description is mentioned in our previous works [24][25][26][27][28][29]. Also, for dissociation to occur, the molecule transforms into a bent geometry and assumes the C s point group.…”

Section: Theoretical Methodologymentioning

confidence: 99%

“…Absolute ionization cross-sections can be independently measured and as such provide an accurate reference for comparison with theory. In order to deduce the ionization contribution from its inelastic counterpart, a semiempirical complex scattering CSP-ic method is employed [27][28][29]. The details of the construction of the ratio and the derivation of the ionization cross-section are well documented elsewhere [27][28][29].…”

Section: High-energy Formalismmentioning

confidence: 99%

“…For intermediate to high energies, a spherical complex optical potential (SCOP) formalism [24][25][26] is employed for computing elastic and inelastic cross-sections. The ionization cross-section is computed from its inelastic counterpart using the complex scattering potential-ionization contribution (CSP-ic) method [27][28][29] and compared with other semiquantitative models.…”

Section: Introductionmentioning

confidence: 99%

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Cross-section studies of cyanoacetylene by electron impact

Kaur

Mason

Antony

2016

J. Phys. B: At. Mol. Opt. Phys.

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The present article provides the first comprehensive study of electron scattering from the cyanoacetylene molecule. The results reported here include integral elastic cross-sections over a wide energy range (0.5 to 5000 eV) and differential, momentum transfer and electronic excitation cross-sections at low energies (<10 eV). For the computation of cross-sections over such a wide energy range, two formalisms are employed: the ab initio R-matrix method and the spherical complex-optical-potential method operating at low and high incident energies, respectively. The total ionization cross-section has also been calculated using the complex scattering potential-ionization contribution method and shows excellent agreement with previously reported values. The target parameters and resonance positions predicted by the R-matrix method are in reasonable agreement with, albeit limited, previous data. The resonances identified at low energies are associated to several dissociative electron-attachment channels.

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Section: Theoretical Methodologymentioning

confidence: 99%

Section: High-energy Formalismmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Cross-section studies of cyanoacetylene by electron impact

Kaur

Mason

Antony

2016

J. Phys. B: At. Mol. Opt. Phys.

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“…To our knowledge, there are no other results of TACSs available in the literature. Thus, we compared with some theoretical results of TICSs from Kaur and Antony [21], and Bart et al [17], and also experimental TICSs from [17,18].…”

Section: Resultsmentioning

confidence: 99%

“…Moreover, Fujimoto et al [19], and Maiolli and Bettega [20] calculated theoretically elastic DCSs and ICSs using R-matrix (R-Mat) and the Schwinger multichannel implemented with pseudopotentials (SMCPP), respectively. Also, Bart et al [17], and Kaur and Antony [21] computed TICSs, where the former used the binary-encounter-Bethe (BEB) formalism, and the latter used a combination of the multicenter spherical complex optical potential (MSCOP) with the complex scattering potential-ionization contribution (CSP-ic).…”

Section: Introductionmentioning

confidence: 99%

Collisions of low- to intermediate-energy electrons with acetonitrile

da Mata,

Fujimoto,

Homem

2023

J. Phys. B: At. Mol. Opt. Phys.

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A systematic investigation was carried out on the elastic scattering of low- to intermediate-energy electrons (E 0 = 0.1–1000 eV) by acetonitrile (CH3CN). We calculated differential (DCS), integral (ICS), momentum-transfer (MTCS), and total absorption cross sections (TACS) from 0.1 to 1000 eV energy range using an absorption-effects-implemented ePolyScat-E3 (ePSE3) suite of codes, which applies the Schwinger variational method combined with the Padé-approximants technique. Also, the screen-corrected independent atom (SCIAM) model was used to compute DCSs, ICSs, and MTCSs from 10 to 1000 eV impact energies. Present results are compared to other theoretical and experimental data when available. In general, our DCS and MTCS results show a good agreement with available data, however, the ICSs and the resonance features exhibit fair accordance. Our results show two shape-resonance structures: one at about 3.4 eV and a second at about 7 eV. They are labeled as π ∗ and σ ∗, and comprise the 2E and 2A1 scattering channels, respectively

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Low-energy-electron scattering by CH3CN

Maioli

Bettega

2017

Eur. Phys. J. D

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Cross section data for ionization of important cyanides

Cited by 3 publications

References 34 publications

Cross-section studies of cyanoacetylene by electron impact

Cross-section studies of cyanoacetylene by electron impact

Collisions of low- to intermediate-energy electrons with acetonitrile

Low-energy-electron scattering by CH3CN

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